2-(1-cyclohex-2-en-1-ylpiperidin-4-yl)ethanamine

C13H24N2 — CID 114620570

IUPAC2-(1-cyclohex-2-en-1-ylpiperidin-4-yl)ethanamine
SMILESNCCC1CCN(C2C=CCCC2)CC1
InChIInChI=1S/C13H24N2/c14-9-6-12-7-10-15(11-8-12)13-4-2-1-3-5-13/h2,4,12-13H,1,3,5-11,14H2
InChIKeySESLUBUINGXFNN-UHFFFAOYSA-N
MW208.35 g/mol
LogP2.16
Rot. Bonds3

About 2-(1-cyclohex-2-en-1-ylpiperidin-4-yl)ethanamine

2-(1-cyclohex-2-en-1-ylpiperidin-4-yl)ethanamine (PubChem CID 114620570) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 2-(1-cyclohex-2-en-1-ylpiperidin-4-yl)ethanamine.

Molecular Properties

Compound Name2-(1-cyclohex-2-en-1-ylpiperidin-4-yl)ethanamine
PubChem CID114620570
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name2-(1-cyclohex-2-en-1-ylpiperidin-4-yl)ethanamine
SMILESNCCC1CCN(C2C=CCCC2)CC1
InChIInChI=1S/C13H24N2/c14-9-6-12-7-10-15(11-8-12)13-4-2-1-3-5-13/h2,4,12-13H,1,3,5-11,14H2
InChIKeySESLUBUINGXFNN-UHFFFAOYSA-N
XLogP2.16
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohex-2-en-1-ylpiperidin-4-yl)ethanamine?
The IUPAC name of 2-(1-cyclohex-2-en-1-ylpiperidin-4-yl)ethanamine (CID 114620570) is 2-(1-cyclohex-2-en-1-ylpiperidin-4-yl)ethanamine.
What is the SMILES notation for 2-(1-cyclohex-2-en-1-ylpiperidin-4-yl)ethanamine?
The canonical SMILES for 2-(1-cyclohex-2-en-1-ylpiperidin-4-yl)ethanamine is NCCC1CCN(C2C=CCCC2)CC1.
What is the InChIKey of 2-(1-cyclohex-2-en-1-ylpiperidin-4-yl)ethanamine?
The InChIKey is SESLUBUINGXFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c14-9-6-12-7-10-15(11-8-12)13-4-2-1-3-5-13/h2,4,12-13H,1,3,5-11,14H2.
What are the key properties of 2-(1-cyclohex-2-en-1-ylpiperidin-4-yl)ethanamine?
2-(1-cyclohex-2-en-1-ylpiperidin-4-yl)ethanamine has a molecular weight of 208.35 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohex-2-en-1-ylpiperidin-4-yl)ethanamine is sourced from PubChem (CID 114620570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).